Chemical ID: 5854102

CC(C)(C)C1CCC(=C2C(=O)NC(=O)S2)CC1
Chemical ID:
5854102
Name [?]:
5-(4-tert-butylcyclohexylidene)thiazolidine-2,4-dione
SMILES [?]:
CC(C)(C)C1CCC(=C2C(=O)NC(=O)S2)CC1
InChi [?]:
InChI=1/C13H19NO2S/c1-13(2,3)9-6-4-8(5-7-9)10-11(15)14-12(16)17-10/h9H,4-7H2,1-3H3,(H,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,3,4,7,16,6,17,8,5,9,10,13,2,12,11,14,15/E:(1,2,3)(4,5)(6,7)/rA:17nCCCCCCCCCCONCOSCC/rB:s1;s2;s2;s2;s5;s6;s7;d8;s9;d10;s10;s12;d13;s9s13;s8;s5s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19NO2S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.06006
Area:426.198
Solvation:-1.59489
Coulombic:-33.1192
Bond Count [?]
All:18
Single:15
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:253.361
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.25
LogP (Chemaxon):2.94

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Descriptor Annotations

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